N-(3-methylbutyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(3-methylbutyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-isopentyl-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(3-methylbutyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(3-methylbutyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-isoamyl-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C14H18N6O3S MolecularWeight: 350.39612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=NN2C

Isomeric SMILES

CC(C)CCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN=NN2C

InChI

InChI=1S/C14H18N6O3S/c1-9(2)6-7-15-13(21)11-8-10(20(22)23)4-5-12(11)24-14-16-17-18-19(14)3/h4-5,8-9H,6-7H2,1-3H3,(H,15,21)