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

Systemtic Name: 3-nitro-4-[[5-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide Openeye Name: 3-nitro-4-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide CAS Name: 3-nitro-4-[[5-[[2-oxo-2-(propylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]benzamide IUPAC Name: 3-nitro-4-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide Traditional Name: 4-[[5-[[2-keto-2-(propylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]-3-nitro-benzamide Formula: C14H15N5O4S3 MolecularWeight: 413.495

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(S1)SC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S3/c1-2-5-16-11(20)7-24-13-17-18-14(26-13)25-10-4-3-8(12(15)21)6-9(10)19(22)23/h3-4,6H,2,5,7H2,1H3,(H2,15,21)(H,16,20)