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

Systemtic Name: 2-(4-bromophenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-bromophenyl)-7-isopropyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-bromophenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-bromophenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-bromophenyl)-7-isopropyl-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=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

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

InChI

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