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

Systemtic Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C13H14N4S2 MolecularWeight: 290.40706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCCC#N)CC3=CC=CS3

Isomeric SMILES

C1CC1N2C(=NN=C2SCCC#N)CC3=CC=CS3

InChI

InChI=1S/C13H14N4S2/c14-6-2-8-19-13-16-15-12(17(13)10-4-5-10)9-11-3-1-7-18-11/h1,3,7,10H,2,4-5,8-9H2