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

Systemtic Name: 4-(3-methylbutylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-isopentylsulfanyl-N-(5-methylthiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-N-(5-methyl-2-thiazolyl)-3-nitrobenzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(isoamylthio)-N-(5-methylthiazol-2-yl)-3-nitro-benzamide Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S2/c1-10(2)6-7-23-14-5-4-12(8-13(14)19(21)22)15(20)18-16-17-9-11(3)24-16/h4-5,8-10H,6-7H2,1-3H3,(H,17,18,20)