1-[(4-methylphenyl)amino]-3-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]urea

Systemtic Name: 1-[(4-methylphenyl)amino]-3-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]urea Openeye Name: 1-(4-methylanilino)-3-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]urea CAS Name: 1-(4-methylanilino)-3-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]urea IUPAC Name: 1-(4-methylanilino)-3-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]urea Traditional Name: 1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]-3-(p-toluidino)urea Formula: C16H17N7OS MolecularWeight: 355.41748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NNC(=O)NCN2C(=S)N(N=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NNC(=O)NCN2C(=S)N(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H17N7OS/c1-12-7-9-13(10-8-12)18-19-15(24)17-11-22-16(25)23(21-20-22)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H2,17,19,24)