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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)OC

InChI

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