2-methyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline

Systemtic Name: 2-methyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline Openeye Name: 2-methyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline CAS Name: 2-methyl-3-[[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoxaline IUPAC Name: 2-methyl-3-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoxaline Traditional Name: 2-methyl-3-[[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]methyl]quinoxaline Formula: C23H24N6S MolecularWeight: 416.54186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)CN5CCCC5

InChI

InChI=1S/C23H24N6S/c1-17-21(25-20-12-6-5-11-19(20)24-17)16-30-23-27-26-22(15-28-13-7-8-14-28)29(23)18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-16H2,1H3