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

Systemtic Name: 5-(4-methoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-methoxyphenyl)-7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-methoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-methoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-methoxyphenyl)-7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H17N3OS MolecularWeight: 347.43348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C20H17N3OS/c1-13-5-10-17-16(12-13)19(14-6-8-15(24-2)9-7-14)22-23-20(21-17)18-4-3-11-25-18/h3-12,22H,1-2H3