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

Systemtic Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H16N4S2 MolecularWeight: 340.46574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC#N)CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC#N)CC3=CC=CS3

InChI

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