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

Systemtic Name: [4-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C25H24N4OS2 MolecularWeight: 460.61426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H24N4OS2/c30-24(28-14-4-5-15-28)21-12-10-20(11-13-21)18-32-25-27-26-23(22-9-6-16-31-22)29(25)17-19-7-2-1-3-8-19/h1-3,6-13,16H,4-5,14-15,17-18H2