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

Systemtic Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C15H12N4S2 MolecularWeight: 312.41258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC#N)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC#N)C3=CC=CS3

InChI

InChI=1S/C15H12N4S2/c16-8-10-21-15-18-17-14(13-7-4-9-20-13)19(15)11-12-5-2-1-3-6-12/h1-7,9H,10-11H2