N-(3-cyanothiophen-2-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=C(C=CS3)C#N)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C(=O)NC3=C(C=CS3)C#N)N4CCCC4

InChI

InChI=1S/C21H22N6OS2/c1-14-5-7-17(8-6-14)27-20(26-10-3-4-11-26)24-25-21(27)30-15(2)18(28)23-19-16(13-22)9-12-29-19/h5-9,12,15H,3-4,10-11H2,1-2H3,(H,23,28)