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

Systemtic Name: 5-(4-ethoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-methyl-5-p-phenetyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)C

InChI

InChI=1S/C21H19N3OS/c1-3-25-16-9-7-15(8-10-16)20-17-13-14(2)6-11-18(17)22-21(24-23-20)19-5-4-12-26-19/h4-13,23H,3H2,1-2H3