3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one

Systemtic Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC3CCCCNC3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC3CCCCNC3=O

InChI

InChI=1S/C15H18N4OS/c1-11-17-18-15(19(11)12-7-3-2-4-8-12)21-13-9-5-6-10-16-14(13)20/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,20)