2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C13H15N5O3S2 MolecularWeight: 353.4199

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=NN=C(S2)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=NN=C(S2)N

InChI

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