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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(cyclohexylcarbamoyl)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(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

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