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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O2S/c1-13-6-8-16-15(11-13)20(14-7-9-17(25-2)18(12-14)26-3)23-24-21(22-16)19-5-4-10-27-19/h4-12,23H,1-3H3