5-(4-methylphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-methylphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(p-tolyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-methylphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-methylphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(p-tolyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C19H15N3S MolecularWeight: 317.4075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=CS4

InChI

InChI=1S/C19H15N3S/c1-13-8-10-14(11-9-13)18-15-5-2-3-6-16(15)20-19(22-21-18)17-7-4-12-23-17/h2-12,21H,1H3