(3S,3aS)-N-cyclopropyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide

Systemtic Name: (3S,3aS)-N-cyclopropyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: (3S,3aS)-N-cyclopropyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: (3S,3aS)-N-cyclopropyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: (3S,3aS)-N-cyclopropyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: (3S,3aS)-N-cyclopropyl-7-methyl-3-phenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C18H23N3S MolecularWeight: 313.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2C1=NN(C2C3=CC=CC=C3)C(=S)NC4CC4

Isomeric SMILES

CC1CCC[C@@H]2C1=NN([C@@H]2C3=CC=CC=C3)C(=S)NC4CC4

InChI

InChI=1S/C18H23N3S/c1-12-6-5-9-15-16(12)20-21(18(22)19-14-10-11-14)17(15)13-7-3-2-4-8-13/h2-4,7-8,12,14-15,17H,5-6,9-11H2,1H3,(H,19,22)/t12?,15-,17-/m1/s1