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

Systemtic Name: 2-(4-methylphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-2-(p-tolyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-methylphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-methylphenyl)-7-propan-2-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-2-(p-tolyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H21N3S MolecularWeight: 359.48724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)C(C)C)C4=CC=CS4

InChI

InChI=1S/C22H21N3S/c1-14(2)17-10-11-19-18(13-17)21(20-5-4-12-26-20)24-25-22(23-19)16-8-6-15(3)7-9-16/h4-14,24H,1-3H3