(4-methyl-3-nitro-phenyl)-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]methanone Openeye Name: (4-methyl-3-nitro-phenyl)-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]methanone CAS Name: (4-methyl-3-nitrophenyl)-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-nitrophenyl)-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]methanone Traditional Name: (4-methyl-3-nitro-phenyl)-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazino]methanone Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(CS3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NN=C(CS3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c1-15-7-8-17(13-19(15)26(28)29)20(27)24-9-11-25(12-10-24)21-23-22-18(14-30-21)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3