5-(3-chlorophenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(3-chlorophenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3-chlorophenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-chlorophenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3-chlorophenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3-chlorophenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H16ClN3S MolecularWeight: 365.87914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN3S/c1-2-13-8-9-17-16(11-13)19(14-5-3-6-15(21)12-14)23-24-20(22-17)18-7-4-10-25-18/h3-12,23H,2H2,1H3