4-[(4-azanylsulfanyloxy-3-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(4-azanylsulfanyloxy-3-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(4-aminosulfanyloxy-3-methoxy-phenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile CAS Name: 4-[[4-(aminothio)oxy-3-methoxyphenyl]methyl-(1,2,4-triazol-4-yl)amino]benzonitrile IUPAC Name: 4-[(4-aminosulfanyloxy-3-methoxyphenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile Traditional Name: 4-[[4-(aminothio)oxy-3-methoxy-benzyl]-(1,2,4-triazol-4-yl)amino]benzonitrile Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OSN

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)OSN

InChI

InChI=1S/C17H16N6O2S/c1-24-17-8-14(4-7-16(17)25-26-19)10-23(22-11-20-21-12-22)15-5-2-13(9-18)3-6-15/h2-8,11-12H,10,19H2,1H3