1,5-dimethyl-2-phenyl-4-[5-[(1S)-1-phenylethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]pyrazol-3-one

Systemtic Name: 1,5-dimethyl-2-phenyl-4-[5-[(1S)-1-phenylethyl]sulfanyl-1,2,3,4-tetrazol-1-yl]pyrazol-3-one Openeye Name: 1,5-dimethyl-2-phenyl-4-[5-[(1S)-1-phenylethyl]sulfanyltetrazol-1-yl]pyrazol-3-one CAS Name: 1,5-dimethyl-2-phenyl-4-[5-[[(1S)-1-phenylethyl]thio]-1-tetrazolyl]-3-pyrazolone IUPAC Name: 1,5-dimethyl-2-phenyl-4-[5-[(1S)-1-phenylethyl]sulfanyltetrazol-1-yl]pyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-[5-[[(1S)-1-phenylethyl]thio]tetrazol-1-yl]-3-pyrazolin-3-one Formula: C20H20N6OS MolecularWeight: 392.4774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)S[C@@H](C)C4=CC=CC=C4

InChI

InChI=1S/C20H20N6OS/c1-14-18(19(27)26(24(14)3)17-12-8-5-9-13-17)25-20(21-22-23-25)28-15(2)16-10-6-4-7-11-16/h4-13,15H,1-3H3/t15-/m0/s1