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

Systemtic Name: 4-(phenylmethyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(2-isopropylthiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(phenylmethyl)-3-[(2-propan-2-yl-4-thiazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(2-isopropylthiazol-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C16H18N4OS2 MolecularWeight: 346.47032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=CS1)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4OS2/c1-11(2)14-17-13(9-22-14)10-23-16-19-18-15(21)20(16)8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,21)