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

Systemtic Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Openeye Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one CAS Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-2-azepanone IUPAC Name: 3-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one Traditional Name: 3-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]azepan-2-one Formula: C12H18N4OS MolecularWeight: 266.36252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC2CCCCNC2=O

Isomeric SMILES

CC1=NN=C(N1CC=C)SC2CCCCNC2=O

InChI

InChI=1S/C12H18N4OS/c1-3-8-16-9(2)14-15-12(16)18-10-6-4-5-7-13-11(10)17/h3,10H,1,4-8H2,2H3,(H,13,17)