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

Systemtic Name: N-(3,4-diethoxyphenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3,4-diethoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(3,4-diethoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(3,4-diethoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-(3,4-diethoxyphenyl)-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzamide Formula: C19H20N6O5S MolecularWeight: 444.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)SC3=NN=NN3C)[N+](=O)[O-])OCC

InChI

InChI=1S/C19H20N6O5S/c1-4-29-15-8-7-13(11-16(15)30-5-2)20-18(26)12-6-9-17(14(10-12)25(27)28)31-19-21-22-23-24(19)3/h6-11H,4-5H2,1-3H3,(H,20,26)