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

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H17N7O3S MolecularWeight: 447.46978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C21H17N7O3S/c1-13-22-9-8-17(24-13)14-4-3-5-16(10-14)25-20(29)15-6-7-19(18(11-15)28(30)31)32-21-26-23-12-27(21)2/h3-12H,1-2H3,(H,25,29)