8-ethyl-2-(4-methylphenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-ethyl-2-(4-methylphenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-ethyl-2-(p-tolyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-ethyl-2-(4-methylphenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-ethyl-2-(4-methylphenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-ethyl-2-(p-tolyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C21H19N3S MolecularWeight: 345.46066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)C)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C(N2)C3=CC=C(C=C3)C)C4=CC=CS4

InChI

InChI=1S/C21H19N3S/c1-3-15-8-11-17-18(13-15)23-20(16-9-6-14(2)7-10-16)24-21(22-17)19-5-4-12-25-19/h4-13H,3H2,1-2H3,(H,22,23,24)