N-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(4-methoxyphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (4-methoxyphenyl)-[5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S2/c1-23-14-7-5-12(6-8-14)17-15-18-19-16(25-15)24-10-11-3-2-4-13(9-11)20(21)22/h2-9H,10H2,1H3,(H,17,18)