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

Systemtic Name: 2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-isopropylphenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-p-cumenyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3S/c1-14(2)15-9-11-16(12-10-15)21-22-18-7-4-3-6-17(18)20(23-24-21)19-8-5-13-25-19/h3-14,23H,1-2H3