4-methyl-3-(5-methylthiophen-3-yl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(5-methylthiophen-3-yl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(5-methyl-3-thienyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(5-methyl-3-thiophenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(5-methylthiophen-3-yl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(5-methyl-3-thienyl)-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C12H12N6O2S2 MolecularWeight: 336.39268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CS1)C2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O2S2/c1-8-3-9(6-21-8)11-14-15-12(16(11)2)22-7-17-5-10(4-13-17)18(19)20/h3-6H,7H2,1-2H3