N-[3-[3-cyclopropyl-5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[3-cyclopropyl-5-(2-oxidanylideneazepan-3-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[3-cyclopropyl-5-(2-oxoazepan-3-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[3-cyclopropyl-5-[(2-oxo-3-azepanyl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[3-cyclopropyl-5-(2-oxoazepan-3-yl)sulfanyl-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[3-cyclopropyl-5-[(2-ketoazepan-3-yl)thio]-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SC3CCCCNC3=O)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SC3CCCCNC3=O)C4CC4

InChI

InChI=1S/C19H23N5O2S/c1-12(25)21-14-5-4-6-15(11-14)24-17(13-8-9-13)22-23-19(24)27-16-7-2-3-10-20-18(16)26/h4-6,11,13,16H,2-3,7-10H2,1H3,(H,20,26)(H,21,25)