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

Systemtic Name: 7-ethyl-2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-2-(4-isopropylphenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-2-p-cumenyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3S MolecularWeight: 373.51382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC=CS4

InChI

InChI=1S/C23H23N3S/c1-4-16-7-12-20-19(14-16)22(21-6-5-13-27-21)25-26-23(24-20)18-10-8-17(9-11-18)15(2)3/h5-15,25H,4H2,1-3H3