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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenylpyrimidin-5-yl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenylpyrimidin-5-yl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(2-phenyl-5-pyrimidinyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenylpyrimidin-5-yl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(2-phenylpyrimidin-5-yl)benzamide Formula: C20H15N7O3S MolecularWeight: 433.4432

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CN=C(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CN=C(N=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N7O3S/c1-26-12-23-25-20(26)31-17-8-7-14(9-16(17)27(29)30)19(28)24-15-10-21-18(22-11-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,24,28)