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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C(C)C)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C(C)C)C4=CC=CS4

InChI

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