2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]indolizine-1-carbonitrile Formula: C18H12BrN5S MolecularWeight: 410.29038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CN4C=CC=CC4=C3C#N)Br

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCC3=CN4C=CC=CC4=C3C#N)Br

InChI

InChI=1S/C18H12BrN5S/c19-15-6-2-1-5-13(15)17-21-18(23-22-17)25-11-12-10-24-8-4-3-7-16(24)14(12)9-20/h1-8,10H,11H2,(H,21,22,23)