1-[(E)-3,3-dimethyl-1-phenyl-2-(phenylsulfanylmethyl)but-1-enyl]benzotriazole

Systemtic Name: 1-[(E)-3,3-dimethyl-1-phenyl-2-(phenylsulfanylmethyl)but-1-enyl]benzotriazole Openeye Name: 1-[(E)-3,3-dimethyl-1-phenyl-2-(phenylsulfanylmethyl)but-1-enyl]benzotriazole CAS Name: 1-[(E)-3,3-dimethyl-1-phenyl-2-[(phenylthio)methyl]but-1-enyl]benzotriazole IUPAC Name: 1-[(E)-3,3-dimethyl-1-phenyl-2-(phenylsulfanylmethyl)but-1-enyl]benzotriazole Traditional Name: 1-[(E)-3,3-dimethyl-1-phenyl-2-[(phenylthio)methyl]but-1-enyl]benzotriazole Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C1=CC=CC=C1)N2C3=CC=CC=C3N=N2)CSC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)/C(=C(/C1=CC=CC=C1)\N2C3=CC=CC=C3N=N2)/CSC4=CC=CC=C4

InChI

InChI=1S/C25H25N3S/c1-25(2,3)21(18-29-20-14-8-5-9-15-20)24(19-12-6-4-7-13-19)28-23-17-11-10-16-22(23)26-27-28/h4-17H,18H2,1-3H3/b24-21-