4-(7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethyl-aniline Openeye Name: 4-[7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]-N,N-dimethyl-aniline CAS Name: 4-(7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline IUPAC Name: 4-(7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)-N,N-dimethylaniline Traditional Name: [4-[7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]-dimethyl-amine Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H22N4S/c1-4-15-7-12-19-18(14-15)21(16-8-10-17(11-9-16)26(2)3)24-25-22(23-19)20-6-5-13-27-20/h5-14,24H,4H2,1-3H3