[4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[(4-methyl-2-pyrimidinyl)thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[(4-methylpyrimidin-2-yl)thio]-3-nitro-phenyl]-phenyl-methanone Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O3S/c1-12-9-10-19-18(20-12)25-16-8-7-14(11-15(16)21(23)24)17(22)13-5-3-2-4-6-13/h2-11H,1H3