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

Systemtic Name: 4-(3-chlorophenyl)-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(3-chlorophenyl)-3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(3-chlorophenyl)-3-[(2-methyl-3-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-(3-chlorophenyl)-3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(3-chlorophenyl)-3-[(2-methyl-3-nitro-benzyl)thio]-1,2,4-triazole Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=CN2C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=CN2C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H13ClN4O2S/c1-11-12(4-2-7-15(11)21(22)23)9-24-16-19-18-10-20(16)14-6-3-5-13(17)8-14/h2-8,10H,9H2,1H3