3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(4-ethoxyphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-p-phenetyl-1,2,4-triazol-4-yl]amine Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H18N6OS/c1-2-25-13-9-7-12(8-10-13)17-22-23-18(24(17)19)26-11-16-20-14-5-3-4-6-15(14)21-16/h3-10H,2,11,19H2,1H3,(H,20,21)