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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C12H12N4S2 MolecularWeight: 276.38048

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC#N)CC3=CC=CS3

Isomeric SMILES

C1CC1N2C(=NN=C2SCC#N)CC3=CC=CS3

InChI

InChI=1S/C12H12N4S2/c13-5-7-18-12-15-14-11(16(12)9-3-4-9)8-10-2-1-6-17-10/h1-2,6,9H,3-4,7-8H2