3-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione Openeye Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione CAS Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylthio]-1,3,4-thiadiazole-2-thione IUPAC Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole-2-thione Traditional Name: 3-(4-chlorophenyl)-5-[(2-methoxy-5-nitro-benzyl)thio]-1,3,4-thiadiazole-2-thione Formula: C16H12ClN3O3S3 MolecularWeight: 425.93278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN(C(=S)S2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O3S3/c1-23-14-7-6-13(20(21)22)8-10(14)9-25-15-18-19(16(24)26-15)12-4-2-11(17)3-5-12/h2-8H,9H2,1H3