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

Systemtic Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide Openeye Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitro-benzamide CAS Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitrobenzamide IUPAC Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-nitrobenzamide Traditional Name: 4-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzamide Formula: C13H15N5O3S2 MolecularWeight: 353.4199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S2/c1-2-3-6-15-12-16-17-13(23-12)22-10-5-4-8(11(14)19)7-9(10)18(20)21/h4-5,7H,2-3,6H2,1H3,(H2,14,19)(H,15,16)