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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H22N6OS2 MolecularWeight: 402.53688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C18H22N6OS2/c1-12(15(25)20-16-13(11-19)7-10-26-16)27-18-22-21-17(24(18)14-5-6-14)23-8-3-2-4-9-23/h7,10,12,14H,2-6,8-9H2,1H3,(H,20,25)