(3R,3aR)-4,4,8-trimethyl-2-phenyl-3,3a-dihydrothiochromeno[4,3-c]pyrazole-3-carbonitrile

Systemtic Name: (3R,3aR)-4,4,8-trimethyl-2-phenyl-3,3a-dihydrothiochromeno[4,3-c]pyrazole-3-carbonitrile Openeye Name: (3R,3aR)-4,4,8-trimethyl-2-phenyl-3,3a-dihydrothiochromeno[4,3-c]pyrazole-3-carbonitrile CAS Name: (3R,3aR)-4,4,8-trimethyl-2-phenyl-3,3a-dihydrothiochromeno[4,3-c]pyrazole-3-carbonitrile IUPAC Name: (3R,3aR)-4,4,8-trimethyl-2-phenyl-3,3a-dihydrothiochromeno[4,3-c]pyrazole-3-carbonitrile Traditional Name: (3R,3aR)-4,4,8-trimethyl-2-phenyl-3,3a-dihydrothiochromeno[4,3-c]pyrazole-3-carbonitrile Formula: C20H19N3S MolecularWeight: 333.44996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(C3C2=NN(C3C#N)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC([C@H]3C2=NN([C@H]3C#N)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C20H19N3S/c1-13-9-10-17-15(11-13)19-18(20(2,3)24-17)16(12-21)23(22-19)14-7-5-4-6-8-14/h4-11,16,18H,1-3H3/t16-,18+/m0/s1