1-(3-bromanyl-4-methoxy-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H19BrN4O2S MolecularWeight: 483.38086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5)Br

InChI

InChI=1S/C22H19BrN4O2S/c1-29-20-9-6-13(10-17(20)23)19(28)12-30-22-26-25-21(27(22)14-7-8-14)16-11-24-18-5-3-2-4-15(16)18/h2-6,9-11,14,25H,7-8,12H2,1H3/b21-16-