4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzamide Formula: C13H14N4O3S3 MolecularWeight: 370.47026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O3S3/c1-2-3-6-21-12-15-16-13(23-12)22-10-5-4-8(11(14)18)7-9(10)17(19)20/h4-5,7H,2-3,6H2,1H3,(H2,14,18)