2,5-bis[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2,5-bis[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2,5-bis[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole CAS Name: 2,5-bis[(3-nitrophenyl)methylthio]-1,3,4-thiadiazole IUPAC Name: 2,5-bis[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2,5-bis[(3-nitrobenzyl)thio]-1,3,4-thiadiazole Formula: C16H12N4O4S3 MolecularWeight: 420.48588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4S3/c21-19(22)13-5-1-3-11(7-13)9-25-15-17-18-16(27-15)26-10-12-4-2-6-14(8-12)20(23)24/h1-8H,9-10H2