(4R,4aR,6S)-2-azanyl-6-tert-butyl-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

Systemtic Name: (4R,4aR,6S)-2-azanyl-6-tert-butyl-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Openeye Name: (4R,4aR,6S)-2-amino-6-tert-butyl-4-(2-thienyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile CAS Name: (4R,4aR,6S)-2-amino-6-tert-butyl-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile IUPAC Name: (4R,4aR,6S)-2-amino-6-tert-butyl-4-thiophen-2-yl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Traditional Name: (4R,4aR,6S)-2-amino-6-tert-butyl-4-(2-thienyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile Formula: C21H22N4S MolecularWeight: 362.49118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CS3

InChI

InChI=1S/C21H22N4S/c1-20(2,3)13-6-7-14-15(9-13)18(17-5-4-8-26-17)21(11-23,12-24)19(25)16(14)10-22/h4-5,7-8,13,15,18H,6,9,25H2,1-3H3/t13-,15-,18-/m0/s1