4-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile

Systemtic Name: 4-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(4-ethoxyphenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[(5-benzyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]butyronitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4OS/c1-2-26-19-12-10-18(11-13-19)25-20(16-17-8-4-3-5-9-17)23-24-21(25)27-15-7-6-14-22/h3-5,8-13H,2,6-7,15-16H2,1H3