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

Systemtic Name: (3S,3aS)-7-methyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Openeye Name: (3S,3aS)-7-methyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide CAS Name: (3S,3aS)-7-methyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide IUPAC Name: (3S,3aS)-7-methyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Traditional Name: (3S,3aS)-7-methyl-N,3-diphenyl-3,3a,4,5,6,7-hexahydroindazole-2-carbothioamide Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2C1=NN(C2C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1CCC[C@@H]2C1=NN([C@@H]2C3=CC=CC=C3)C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N3S/c1-15-9-8-14-18-19(15)23-24(20(18)16-10-4-2-5-11-16)21(25)22-17-12-6-3-7-13-17/h2-7,10-13,15,18,20H,8-9,14H2,1H3,(H,22,25)/t15?,18-,20-/m1/s1