N-(3-methoxyphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(3-methoxyphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-methoxyphenyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(3-methoxyphenyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-methoxyphenyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]-(3-methoxyphenyl)amine Formula: C16H14N4O5S3 MolecularWeight: 438.50116

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O5S3/c1-25-11-5-3-4-10(8-11)17-15-18-19-16(27-15)26-14-7-6-12(28(2,23)24)9-13(14)20(21)22/h3-9H,1-2H3,(H,17,18)