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

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexanone CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-cyclohexanone IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]cyclohexan-1-one Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]cyclohexanone Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC2CCCCC2=O

Isomeric SMILES

CC1=NN=C(N1CC=C)SC2CCCCC2=O

InChI

InChI=1S/C12H17N3OS/c1-3-8-15-9(2)13-14-12(15)17-11-7-5-4-6-10(11)16/h3,11H,1,4-8H2,2H3