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

Systemtic Name: [4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]-pyrrolidino-methanone Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)CSC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS/c25-19(23-12-4-5-13-23)17-10-8-16(9-11-17)14-26-20-22-21-15-24(20)18-6-2-1-3-7-18/h1-3,6-11,15H,4-5,12-14H2