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

Systemtic Name: phenyl-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: phenyl-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone CAS Name: [4-[oxo-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: phenyl-[4-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone Traditional Name: phenyl-[4-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoyl]piperazino]methanone Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C21H21N5O2S/c27-19(17-4-2-1-3-5-17)25-10-12-26(13-11-25)20(28)18-8-6-16(7-9-18)14-29-21-22-15-23-24-21/h1-9,15H,10-14H2,(H,22,23,24)