N-(cyclohexylmethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(cyclohexylmethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(cyclohexylmethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(cyclohexylmethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(cyclohexylmethyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NN=CN2C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)SC2=NN=CN2C3=CC(=CC=C3)OC

InChI

InChI=1S/C19H26N4O2S/c1-14(18(24)20-12-15-7-4-3-5-8-15)26-19-22-21-13-23(19)16-9-6-10-17(11-16)25-2/h6,9-11,13-15H,3-5,7-8,12H2,1-2H3,(H,20,24)