N-(3-methylbutyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3-methylbutyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-isopentyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(3-methylbutyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(3-methylbutyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-isoamyl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCC(C)C)[N+](=O)[O-]

InChI

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