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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O3S/c1-4-7-18-11(3)16-17-15(18)23-9-14(20)12-6-5-10(2)13(8-12)19(21)22/h4-6,8H,1,7,9H2,2-3H3