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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methyl-3-nitro-phenyl)ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-3-nitro-phenyl)ethanone Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=CN2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=CN2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3S/c1-9(2)17-8-15-16-14(17)22-7-13(19)11-5-4-10(3)12(6-11)18(20)21/h4-6,8-9H,7H2,1-3H3