4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-N-(4-methoxyphenyl)benzamide Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC4=CC=CO4)N5CCCC5

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC4=CC=CO4)N5CCCC5

InChI

InChI=1S/C26H27N5O3S/c1-33-22-12-10-21(11-13-22)27-24(32)20-8-6-19(7-9-20)18-35-26-29-28-25(30-14-2-3-15-30)31(26)17-23-5-4-16-34-23/h4-13,16H,2-3,14-15,17-18H2,1H3,(H,27,32)