6-methoxy-1,1,4a,7-tetramethyl-2-phenylsulfanyl-2,3,4,9,10,10a-hexahydrophenanthrene-9-carbonitrile

Systemtic Name: 6-methoxy-1,1,4a,7-tetramethyl-2-phenylsulfanyl-2,3,4,9,10,10a-hexahydrophenanthrene-9-carbonitrile Openeye Name: 6-methoxy-1,1,4a,7-tetramethyl-2-phenylsulfanyl-2,3,4,9,10,10a-hexahydrophenanthrene-9-carbonitrile CAS Name: 6-methoxy-1,1,4a,7-tetramethyl-2-(phenylthio)-2,3,4,9,10,10a-hexahydrophenanthrene-9-carbonitrile IUPAC Name: 6-methoxy-1,1,4a,7-tetramethyl-2-phenylsulfanyl-2,3,4,9,10,10a-hexahydrophenanthrene-9-carbonitrile Traditional Name: 6-methoxy-1,1,4a,7-tetramethyl-2-(phenylthio)-2,3,4,9,10,10a-hexahydrophenanthrene-9-carbonitrile Formula: C26H31NOS MolecularWeight: 405.59544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(CC3C2(CCC(C3(C)C)SC4=CC=CC=C4)C)C#N)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)C(CC3C2(CCC(C3(C)C)SC4=CC=CC=C4)C)C#N)OC

InChI

InChI=1S/C26H31NOS/c1-17-13-20-18(16-27)14-23-25(2,3)24(29-19-9-7-6-8-10-19)11-12-26(23,4)21(20)15-22(17)28-5/h6-10,13,15,18,23-24H,11-12,14H2,1-5H3