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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-13(16(24)21-17(25)20-14-8-4-2-5-9-14)26-18-22-19-12-23(18)15-10-6-3-7-11-15/h3,6-7,10-14H,2,4-5,8-9H2,1H3,(H2,20,21,24,25)