2-(4-tert-butylphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-isopropyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-isopropyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C25H27N3S MolecularWeight: 401.56698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CS4

InChI

InChI=1S/C25H27N3S/c1-16(2)18-10-13-21-20(15-18)23(22-7-6-14-29-22)27-28-24(26-21)17-8-11-19(12-9-17)25(3,4)5/h6-16,27H,1-5H3