N-[3-[3-(2-oxidanylidenecyclohexyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-(2-oxidanylidenecyclohexyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-(2-oxocyclohexyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-[(2-oxocyclohexyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-(2-oxocyclohexyl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-[(2-ketocyclohexyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SC3CCCCC3=O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SC3CCCCC3=O

InChI

InChI=1S/C16H18N4O2S/c1-11(21)18-12-5-4-6-13(9-12)20-10-17-19-16(20)23-15-8-3-2-7-14(15)22/h4-6,9-10,15H,2-3,7-8H2,1H3,(H,18,21)