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

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Formula: C15H18N4O3S2 MolecularWeight: 366.45842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S2/c1-9(2)6-7-23-13-5-4-11(8-12(13)19(21)22)14(20)16-15-18-17-10(3)24-15/h4-5,8-9H,6-7H2,1-3H3,(H,16,18,20)