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

Systemtic Name: 5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Openeye Name: 5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione CAS Name: 5-[(2-methoxy-5-nitrophenyl)methylthio]-3-phenyl-1,3,4-thiadiazole-2-thione IUPAC Name: 5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione Traditional Name: 5-[(2-methoxy-5-nitro-benzyl)thio]-3-phenyl-1,3,4-thiadiazole-2-thione Formula: C16H13N3O3S3 MolecularWeight: 391.48772

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S3/c1-22-14-8-7-13(19(20)21)9-11(14)10-24-15-17-18(16(23)25-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3