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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

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