[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[(4-methylthiazol-2-yl)thio]-3-nitro-phenyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C19H18N6O3S2 MolecularWeight: 442.51462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O3S2/c1-13-12-29-19(22-13)30-16-4-3-14(11-15(16)25(27)28)17(26)23-7-9-24(10-8-23)18-20-5-2-6-21-18/h2-6,11-12H,7-10H2,1H3