2-[[4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-(2-methoxyphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C19H18N4O2S/c1-3-25-15-10-8-14(9-11-15)23-18(21-22-19(23)26-13-12-20)16-6-4-5-7-17(16)24-2/h4-11H,3,13H2,1-2H3