4,4-dimethyl-1,1-bis(phenylmethylsulfanyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: 4,4-dimethyl-1,1-bis(phenylmethylsulfanyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: 1,1-bis(benzylsulfanyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: 4,4-dimethyl-1,1-bis(phenylmethylthio)-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: 1,1-bis(benzylsulfanyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: 1,1-bis(benzylthio)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C23H25N3OS2 MolecularWeight: 423.5941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)N3C=NC=N3

Isomeric SMILES

CC(C)(C)C(=O)C(=C(SCC1=CC=CC=C1)SCC2=CC=CC=C2)N3C=NC=N3

InChI

InChI=1S/C23H25N3OS2/c1-23(2,3)21(27)20(26-17-24-16-25-26)22(28-14-18-10-6-4-7-11-18)29-15-19-12-8-5-9-13-19/h4-13,16-17H,14-15H2,1-3H3