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

Systemtic Name: [4-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-2-27-21(16-18-8-4-3-5-9-18)24-25-23(27)29-17-19-10-12-20(13-11-19)22(28)26-14-6-7-15-26/h3-5,8-13H,2,6-7,14-17H2,1H3