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

Systemtic Name: (4-phenylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: (4-phenylpiperazino)-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H21N5OS/c26-19(25-12-10-24(11-13-25)18-4-2-1-3-5-18)17-8-6-16(7-9-17)14-27-20-21-15-22-23-20/h1-9,15H,10-14H2,(H,21,22,23)