4-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H17N5OS/c1-24-16-8-6-13(7-9-16)10-17-21-22-18(23(17)20)25-12-15-4-2-14(11-19)3-5-15/h2-9H,10,12,20H2,1H3