1-(1-methylpyrrol-2-yl)-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)CSC2=NN=CN2CC=C

Isomeric SMILES

CN1C=CC=C1C(=O)CSC2=NN=CN2CC=C

InChI

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