N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H18BrN5O4S MolecularWeight: 492.34632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN5O4S/c1-23(10-13-8-14(20)5-6-16(13)29-3)18(26)12-4-7-17(15(9-12)25(27)28)30-19-22-21-11-24(19)2/h4-9,11H,10H2,1-3H3