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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C19H26N6OS MolecularWeight: 386.51434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3N)C4CC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C19H26N6OS/c1-13(27-19-23-22-17(25(19)20)14-5-6-14)18(26)21-15-7-9-16(10-8-15)24-11-3-2-4-12-24/h7-10,13-14H,2-6,11-12,20H2,1H3,(H,21,26)