2-(4-ethylphenyl)-7-methyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-ethylphenyl)-7-methyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-ethylphenyl)-7-methyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-ethylphenyl)-7-methyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-ethylphenyl)-7-methyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-ethylphenyl)-7-methyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C21H19N3S MolecularWeight: 345.46066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C)C4=CC=CS4

InChI

InChI=1S/C21H19N3S/c1-3-15-7-9-16(10-8-15)21-22-18-11-6-14(2)13-17(18)20(23-24-21)19-5-4-12-25-19/h4-13,23H,3H2,1-2H3