4-azanyl-5-(phenylmethyl)-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one

Systemtic Name: 4-azanyl-5-(phenylmethyl)-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one Openeye Name: 4-amino-5-benzyl-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one CAS Name: 4-amino-5-(phenylmethyl)-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one IUPAC Name: 4-amino-5-benzyl-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one Traditional Name: 4-amino-5-benzyl-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-1,2,4-triazol-3-one Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=O)N2N)CC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=O)N2N)CC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C18H17N7OS/c19-25-15(11-13-7-3-1-4-8-13)22-23(18(25)26)12-16-20-21-17(27)24(16)14-9-5-2-6-10-14/h1-10H,11-12,19H2,(H,21,27)