2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-5-(2-naphthyl)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[(3S)-5-(2-naphthalenyl)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-5-naphthalen-2-yl-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-[(5S)-3-(2-naphthyl)-5-phenyl-3-pyrazolin-1-yl]ethanone Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(NN2C(=O)CSC3=NNC(=N3)N)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CSC3=NNC(=N3)N)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H20N6OS/c24-22-25-23(27-26-22)31-14-21(30)29-20(16-7-2-1-3-8-16)13-19(28-29)18-11-10-15-6-4-5-9-17(15)12-18/h1-13,20,28H,14H2,(H3,24,25,26,27)/t20-/m0/s1