1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfanyl-prop-1-enyl]benzotriazole

Systemtic Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfanyl-prop-1-enyl]benzotriazole Openeye Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfanyl-prop-1-enyl]benzotriazole CAS Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-[(4-methoxyphenyl)thio]prop-1-enyl]benzotriazole IUPAC Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfanylprop-1-enyl]benzotriazole Traditional Name: 1-[(Z)-2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-3-[(4-methoxyphenyl)thio]prop-1-enyl]benzotriazole Formula: C30H26FN3OS MolecularWeight: 495.610343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=C(C2=CC=C(C=C2)F)N3C4=CC=CC=C4N=N3)CSC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)/C(=C(\C2=CC=C(C=C2)F)/N3C4=CC=CC=C4N=N3)/CSC5=CC=C(C=C5)OC

InChI

InChI=1S/C30H26FN3OS/c1-20-8-9-21(2)26(18-20)27(19-36-25-16-14-24(35-3)15-17-25)30(22-10-12-23(31)13-11-22)34-29-7-5-4-6-28(29)32-33-34/h4-18H,19H2,1-3H3/b30-27+