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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S/c1-14(19(27)24-20(28)22-16-8-4-2-5-9-16)29-21-23-18(15-12-13-15)26(25-21)17-10-6-3-7-11-17/h3,6-7,10-11,14-16H,2,4-5,8-9,12-13H2,1H3,(H2,22,24,27,28)