2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCC3

InChI

InChI=1S/C15H18N4OS/c1-12-16-17-15(19(12)13-7-3-2-4-8-13)21-11-14(20)18-9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3