2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C12H14N4OS MolecularWeight: 262.33076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=CN2

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C2=CC=CN2

InChI

InChI=1S/C12H14N4OS/c1-3-7-16-9(2)14-15-12(16)18-8-11(17)10-5-4-6-13-10/h3-6,13H,1,7-8H2,2H3