3-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanethioic S-acid

Systemtic Name: 3-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanethioic S-acid Openeye Name: 3-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanethioic S-acid CAS Name: 3-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanethioic S-acid IUPAC Name: 3-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)propanethioic S-acid Traditional Name: 3-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)thiopropionic acid Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CCC(=O)S

Isomeric SMILES

C1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CCC(=O)S

InChI

InChI=1S/C16H18N2OS/c19-16(20)11-10-14-13-8-4-5-9-15(13)18(17-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,19,20)