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

Systemtic Name: 7-bromanyl-2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-isopropylphenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-propan-2-ylphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-p-cumenyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C21H18BrN3S MolecularWeight: 424.35672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrN3S/c1-13(2)14-5-7-15(8-6-14)21-23-18-10-9-16(22)12-17(18)20(24-25-21)19-4-3-11-26-19/h3-13,24H,1-2H3