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

Systemtic Name: N-(2-methylcyclohexyl)-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-(2-methylcyclohexyl)propanamide CAS Name: N-(2-methylcyclohexyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2-methylcyclohexyl)-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-(2-methylcyclohexyl)propionamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4OS/c1-4-14-25-19(17-11-6-5-7-12-17)23-24-21(25)27-16(3)20(26)22-18-13-9-8-10-15(18)2/h4-7,11-12,15-16,18H,1,8-10,13-14H2,2-3H3,(H,22,26)