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

Systemtic Name: N,N-dimethyl-4-(7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)aniline Openeye Name: N,N-dimethyl-4-[7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]aniline CAS Name: N,N-dimethyl-4-(7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)aniline IUPAC Name: N,N-dimethyl-4-(7-methyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepin-5-yl)aniline Traditional Name: dimethyl-[4-[7-methyl-2-(2-thienyl)-4H-1,3,4-benzotriazepin-5-yl]phenyl]amine Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C21H20N4S/c1-14-6-11-18-17(13-14)20(15-7-9-16(10-8-15)25(2)3)23-24-21(22-18)19-5-4-12-26-19/h4-13,23H,1-3H3