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

Systemtic Name: 2-[4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C23H19N5OS/c1-29-20-12-10-18(11-13-20)22-26-27-23(28(22)25)30-15-16-6-8-17(9-7-16)21-5-3-2-4-19(21)14-24/h2-13H,15,25H2,1H3