N-cycloheptyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-cycloheptyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cycloheptyl-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cycloheptyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[[5-(3-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cycloheptyl-2-[[5-(m-tolyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC(=CC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2CCCCCC2)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H30N4OS/c1-3-13-25-20(17-10-8-9-16(2)14-17)23-24-21(25)27-15-19(26)22-18-11-6-4-5-7-12-18/h8-10,14,18H,3-7,11-13,15H2,1-2H3,(H,22,26)