2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)acetamide CAS Name: 2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(benzylcarbamoyl)acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC(=O)NCC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H27N5O2S/c1-2-13-26-19(17-11-7-4-8-12-17)24-25-21(26)29-15-18(27)23-20(28)22-14-16-9-5-3-6-10-16/h2-3,5-6,9-10,17H,1,4,7-8,11-15H2,(H2,22,23,27,28)