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

Systemtic Name: (2S)-2-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2S)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2S)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2S)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2S)-2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)S[C@@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O2S/c1-28-17-12-6-5-11-16(17)19-23-24-21(26(19)22)29-18(15-9-3-2-4-10-15)20(27)25-13-7-8-14-25/h2-6,9-12,18H,7-8,13-14,22H2,1H3/t18-/m0/s1