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

Systemtic Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-[(4-aminophenyl)methyl]-5-butyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-(4-aminobenzyl)-5-butyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C21H23N5S MolecularWeight: 377.50582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H23N5S/c1-2-3-8-20-24-25-21(26(20)14-16-9-11-19(23)12-10-16)27-15-18-7-5-4-6-17(18)13-22/h4-7,9-12H,2-3,8,14-15,23H2,1H3