N-[(2-methoxypyridin-3-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[(2-methoxypyridin-3-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[(2-methoxy-3-pyridyl)methyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[(2-methoxy-3-pyridinyl)methyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[(2-methoxypyridin-3-yl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[(2-methoxy-3-pyridyl)methyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC3=C(N=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-11-10-27-18(21-11)28-15-6-5-12(8-14(15)22(24)25)16(23)20-9-13-4-3-7-19-17(13)26-2/h3-8,10H,9H2,1-2H3,(H,20,23)