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

Systemtic Name: 4-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)butanethioic S-acid Openeye Name: 4-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)butanethioic S-acid CAS Name: 4-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)butanethioic S-acid IUPAC Name: 4-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)butanethioic S-acid Traditional Name: 4-(1-phenyl-4,5,6,7-tetrahydroindazol-3-yl)thiobutyric acid Formula: C17H20N2OS MolecularWeight: 300.4185

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2OS/c20-17(21)12-6-10-15-14-9-4-5-11-16(14)19(18-15)13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,20,21)