5-[[(4-methylphenyl)amino]methyl]-2-(morpholin-4-ylmethyl)-4-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione

Systemtic Name: 5-[[(4-methylphenyl)amino]methyl]-2-(morpholin-4-ylmethyl)-4-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione Openeye Name: 5-[(4-methylanilino)methyl]-2-(morpholinomethyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1,2,4-triazole-3-thione CAS Name: 5-[(4-methylanilino)methyl]-2-(4-morpholinylmethyl)-4-[(E)-[5-(4-nitrophenyl)-2-furanyl]methylideneamino]-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-methylanilino)methyl]-2-(morpholin-4-ylmethyl)-4-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione Traditional Name: 2-(morpholinomethyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-5-(p-toluidinomethyl)-1,2,4-triazole-3-thione Formula: C26H27N7O4S MolecularWeight: 533.60208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NCC2=NN(C(=S)N2N=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])CN5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)NCC2=NN(C(=S)N2/N=C/C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])CN5CCOCC5

InChI

InChI=1S/C26H27N7O4S/c1-19-2-6-21(7-3-19)27-17-25-29-31(18-30-12-14-36-15-13-30)26(38)32(25)28-16-23-10-11-24(37-23)20-4-8-22(9-5-20)33(34)35/h2-11,16,27H,12-15,17-18H2,1H3/b28-16+