[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3S/c1-23-14-21-22-20(23)30-18-8-7-15(13-17(18)26(28)29)19(27)25-11-9-24(10-12-25)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3