3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide

Systemtic Name: 3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[5-(allylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 3-nitro-4-[[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzamide IUPAC Name: 3-nitro-4-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[5-(allylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C13H13N5O3S2 MolecularWeight: 351.40402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S2/c1-2-5-15-12-16-17-13(23-12)22-7-9-4-3-8(11(14)19)6-10(9)18(20)21/h2-4,6H,1,5,7H2,(H2,14,19)(H,15,16)