5-phenyl-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-phenyl-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-5-phenyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-phenyl-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-phenyl-7-propan-2-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-5-phenyl-2-(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=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=CC=C4

InChI

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