[2-[(Z)-2-(benzotriazol-1-yl)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-bromanyl-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(Z)-2-(benzotriazol-1-yl)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-bromanyl-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(Z)-2-(benzotriazol-1-yl)-3-(5-methyl-2-furyl)prop-2-enoyl]-4-bromo-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(Z)-2-(1-benzotriazolyl)-3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]-4-bromophenyl] ester IUPAC Name: [2-[(Z)-2-(benzotriazol-1-yl)-3-(5-methylfuran-2-yl)prop-2-enoyl]-4-bromophenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(Z)-2-(benzotriazol-1-yl)-3-(5-methyl-2-furyl)acryloyl]-4-bromo-phenyl] ester Formula: C27H20BrN3O5S MolecularWeight: 578.4338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C(=O)C(=CC3=CC=C(O3)C)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C(=O)/C(=C/C3=CC=C(O3)C)/N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H20BrN3O5S/c1-17-7-12-21(13-8-17)37(33,34)36-26-14-10-19(28)15-22(26)27(32)25(16-20-11-9-18(2)35-20)31-24-6-4-3-5-23(24)29-30-31/h3-16H,1-2H3/b25-16-