N-(cyclohexylmethyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(cyclohexylmethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(cyclohexylmethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(cyclohexylmethyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(cyclohexylmethyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O2S/c1-15(18(25)21-14-17-10-6-3-7-11-17)27-20-23-22-19(26)24(20)13-12-16-8-4-2-5-9-16/h2,4-5,8-9,15,17H,3,6-7,10-14H2,1H3,(H,21,25)(H,22,26)