N-cyclohexyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-cyclohexyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-cyclohexyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-cyclohexyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-cyclohexyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-cyclohexyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-13(16(22)19-14-8-4-2-5-9-14)23-17-20-18-12-21(17)15-10-6-3-7-11-15/h3,6-7,10-14H,2,4-5,8-9H2,1H3,(H,19,22)