5-(2-methylfuran-3-yl)-4-(phenylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-methylfuran-3-yl)-4-(phenylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(2-methyl-3-furyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-methyl-3-furanyl)-4-(phenylmethyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(2-methylfuran-3-yl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(2-methyl-3-furyl)-2-[(4-phenylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN(C(=S)N2CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CO1)C2=NN(C(=S)N2CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5OS/c1-20-23(12-17-31-20)24-26-30(25(32)29(24)18-21-8-4-2-5-9-21)19-27-13-15-28(16-14-27)22-10-6-3-7-11-22/h2-12,17H,13-16,18-19H2,1H3