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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)C

InChI

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