[5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [5-nitro-2-(1H-1,2,4-triazol-5-ylthio)phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [5-nitro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [5-nitro-2-(1H-1,2,4-triazol-5-ylthio)phenyl]-(4-phenylpiperazino)methanone Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC=NN4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NC=NN4

InChI

InChI=1S/C19H18N6O3S/c26-18(24-10-8-23(9-11-24)14-4-2-1-3-5-14)16-12-15(25(27)28)6-7-17(16)29-19-20-13-21-22-19/h1-7,12-13H,8-11H2,(H,20,21,22)