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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methyl-4-nitro-phenyl)acetamide Formula: C15H19N5O3S2 MolecularWeight: 381.47306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)NCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)NCC(C)C

InChI

InChI=1S/C15H19N5O3S2/c1-9(2)7-16-14-18-19-15(25-14)24-8-13(21)17-12-5-4-11(20(22)23)6-10(12)3/h4-6,9H,7-8H2,1-3H3,(H,16,18)(H,17,21)