[4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4O2S/c1-3-27-21(19-7-6-8-20(15-19)29-2)24-25-23(27)30-16-17-9-11-18(12-10-17)22(28)26-13-4-5-14-26/h6-12,15H,3-5,13-14,16H2,1-2H3