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

Systemtic Name: 4-cyclopropyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(2-methyl-3-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(2-methyl-3-nitro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C17H16N4O2S2/c1-11-12(4-2-5-14(11)21(22)23)10-25-17-19-18-16(15-6-3-9-24-15)20(17)13-7-8-13/h2-6,9,13H,7-8,10H2,1H3