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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-methyl-3-nitrophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-methyl-3-nitrophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H16N4O3S2 MolecularWeight: 388.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S2/c1-11-5-6-12(8-14(11)21(23)24)15(22)10-26-17-19-18-16(20(17)2)9-13-4-3-7-25-13/h3-8H,9-10H2,1-2H3