(5Z)-4-[1-(3-bromanylpropyl)-5-fluoranyl-indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one

Systemtic Name: (5Z)-4-[1-(3-bromanylpropyl)-5-fluoranyl-indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one Openeye Name: (5Z)-4-[1-(3-bromopropyl)-5-fluoro-indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one CAS Name: (5Z)-4-[1-(3-bromopropyl)-5-fluoro-3-indolyl]-5-(3-indolylidene)-1,2,4-triazolidin-3-one IUPAC Name: (5Z)-4-[1-(3-bromopropyl)-5-fluoroindol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one Traditional Name: (5Z)-4-[1-(3-bromopropyl)-5-fluoro-indol-3-yl]-5-indol-3-ylidene-1,2,4-triazolidin-3-one Formula: C21H17BrFN5O MolecularWeight: 454.294983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCBr)C=N2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\3/NNC(=O)N3C4=CN(C5=C4C=C(C=C5)F)CCCBr)/C=N2

InChI

InChI=1S/C21H17BrFN5O/c22-8-3-9-27-12-19(15-10-13(23)6-7-18(15)27)28-20(25-26-21(28)29)16-11-24-17-5-2-1-4-14(16)17/h1-2,4-7,10-12,25H,3,8-9H2,(H,26,29)/b20-16-