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

Systemtic Name: 4-methyl-3-(5-methyl-4-phenyl-thiophen-3-yl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-(5-methyl-4-phenyl-3-thienyl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-methyl-3-(5-methyl-4-phenyl-3-thiophenyl)-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(5-methyl-4-phenylthiophen-3-yl)-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-(5-methyl-4-phenyl-3-thienyl)-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CS1)C2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CS1)C2=NN=C(N2C)SCN3C=C(C=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H16N6O2S2/c1-12-16(13-6-4-3-5-7-13)15(10-27-12)17-20-21-18(22(17)2)28-11-23-9-14(8-19-23)24(25)26/h3-10H,11H2,1-2H3