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

Systemtic Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-chlorophenyl)-4-methyl-5-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-11-13(4-3-5-15(11)22(23)24)10-25-17-20-19-16(21(17)2)12-6-8-14(18)9-7-12/h3-9H,10H2,1-2H3