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

Systemtic Name: 4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butanenitrile Traditional Name: 4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C17H16N4S2 MolecularWeight: 340.46574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC#N)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCCC#N)C3=CC=CS3

InChI

InChI=1S/C17H16N4S2/c18-10-4-5-11-23-17-20-19-16(15-9-6-12-22-15)21(17)13-14-7-2-1-3-8-14/h1-3,6-9,12H,4-5,11,13H2