4-phenethyl-3-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(2-anilinothiazol-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-anilino-4-thiazolyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-anilinothiazol-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C20H19N5OS2 MolecularWeight: 409.52776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CSC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CSC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C20H19N5OS2/c26-19-23-24-20(25(19)12-11-15-7-3-1-4-8-15)28-14-17-13-27-18(22-17)21-16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,21,22)(H,23,26)