phenyl-[5-(phenylmethylsulfanyl)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone

Systemtic Name: phenyl-[5-(phenylmethylsulfanyl)-3-pyridin-3-yl-1,2,4-triazol-1-yl]methanone Openeye Name: [5-benzylsulfanyl-3-(3-pyridyl)-1,2,4-triazol-1-yl]-phenyl-methanone CAS Name: phenyl-[5-(phenylmethylthio)-3-(3-pyridinyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: (5-benzylsulfanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-phenylmethanone Traditional Name: [5-(benzylthio)-3-(3-pyridyl)-1,2,4-triazol-1-yl]-phenyl-methanone Formula: C21H16N4OS MolecularWeight: 372.44294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NN2C(=O)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NN2C(=O)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4OS/c26-20(17-10-5-2-6-11-17)25-21(27-15-16-8-3-1-4-9-16)23-19(24-25)18-12-7-13-22-14-18/h1-14H,15H2