2-methyl-N-[5-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: 2-methyl-N-[5-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: 2-methyl-N-[5-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide CAS Name: 2-methyl-N-[5-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-methyl-N-[5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: N-[5-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-2-methyl-propionamide Formula: C14H15N5O4S2 MolecularWeight: 381.43

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=NN=C(S1)SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S2/c1-8(2)12(21)16-13-17-18-14(25-13)24-7-11(20)15-9-4-3-5-10(6-9)19(22)23/h3-6,8H,7H2,1-2H3,(H,15,20)(H,16,17,21)