4-(3-methylbutylsulfanyl)-3-nitro-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide Openeye Name: 4-isopentylsulfanyl-3-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-[4-(1-tetrazolyl)phenyl]benzamide IUPAC Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide Traditional Name: 4-(isoamylthio)-3-nitro-N-[4-(tetrazol-1-yl)phenyl]benzamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=NN=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3C=NN=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O3S/c1-13(2)9-10-29-18-8-3-14(11-17(18)25(27)28)19(26)21-15-4-6-16(7-5-15)24-12-20-22-23-24/h3-8,11-13H,9-10H2,1-2H3,(H,21,26)