3-methyl-4-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3-methyl-4-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: 3-methyl-4-nitro-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-methyl-4-nitro-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-methyl-4-nitro-benzamide Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NN=C(S2)SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S2/c1-3-6-21-13-16-15-12(22-13)14-11(18)9-4-5-10(17(19)20)8(2)7-9/h3-5,7H,1,6H2,2H3,(H,14,15,18)