[4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C27H28N4OS2 MolecularWeight: 488.66742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C27H28N4OS2/c32-26(30-15-4-5-16-30)23-12-10-22(11-13-23)20-34-27-29-28-25(19-24-9-6-18-33-24)31(27)17-14-21-7-2-1-3-8-21/h1-3,6-13,18H,4-5,14-17,19-20H2