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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-m-anisyl-N-methyl-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzamide Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c1-22(11-12-5-4-6-14(9-12)28-3)17(25)13-7-8-16(15(10-13)24(26)27)29-18-19-20-21-23(18)2/h4-10H,11H2,1-3H3