4-(phenylmethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(phenylmethyl)-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(phenylmethyl)-3-[[4-(1-pyrazolyl)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(4-pyrazol-1-ylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C19H17N5OS/c25-18-21-22-19(23(18)13-15-5-2-1-3-6-15)26-14-16-7-9-17(10-8-16)24-12-4-11-20-24/h1-12H,13-14H2,(H,21,25)