N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H16N6O4S2 MolecularWeight: 456.49814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O4S2/c1-3-29-12-5-6-13-16(9-12)30-18(21-13)22-17(26)11-4-7-15(14(8-11)25(27)28)31-19-23-20-10-24(19)2/h4-10H,3H2,1-2H3,(H,21,22,26)