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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)C(C)C)C4=CC=CS4

InChI

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