(4-methylsulfanyl-3-nitro-phenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (4-methylsulfanyl-3-nitro-phenyl)-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: [4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-[4-(methylthio)-3-nitrophenyl]methanone IUPAC Name: (4-methylsulfanyl-3-nitrophenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: [4-[(2-methylthiazol-4-yl)methyl]piperazino]-[4-(methylthio)-3-nitro-phenyl]methanone Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S2/c1-12-18-14(11-26-12)10-19-5-7-20(8-6-19)17(22)13-3-4-16(25-2)15(9-13)21(23)24/h3-4,9,11H,5-8,10H2,1-2H3