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

Systemtic Name: 2-(4-tert-butylphenyl)-7-methyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-methyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-methyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-methyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-methyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3S MolecularWeight: 373.51382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CS4

InChI

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