(4aS)-1-isothiocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene

Systemtic Name: (4aS)-1-isothiocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene Openeye Name: (4aS)-7-isopropyl-1-isothiocyanato-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene CAS Name: (4aS)-1-isothiocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene IUPAC Name: (4aS)-1-isothiocyanato-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene Traditional Name: (4aS)-7-isopropyl-1-isothiocyanato-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene Formula: C20H27NS MolecularWeight: 313.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)N=C=S)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCCC(C3CC2)(C)N=C=S)C

InChI

InChI=1S/C20H27NS/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(17,3)10-5-11-20(18,4)21-13-22/h6,8,12,14,18H,5,7,9-11H2,1-4H3/t18?,19-,20?/m1/s1