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

Systemtic Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline Openeye Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methyl-quinoxaline CAS Name: 2-[[[4-(2-chlorophenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-methylquinoxaline IUPAC Name: 2-[[4-(2-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-methylquinoxaline Traditional Name: 2-[[[4-(2-chlorophenyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-3-methyl-quinoxaline Formula: C22H21ClN6S MolecularWeight: 436.96034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4Cl)N5CCCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4Cl)N5CCCC5

InChI

InChI=1S/C22H21ClN6S/c1-15-19(25-18-10-4-3-9-17(18)24-15)14-30-22-27-26-21(28-12-6-7-13-28)29(22)20-11-5-2-8-16(20)23/h2-5,8-11H,6-7,12-14H2,1H3