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

Systemtic Name: 2-(3-chlorophenyl)-8-ethyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(3-chlorophenyl)-8-ethyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 2-(3-chlorophenyl)-8-ethyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 2-(3-chlorophenyl)-8-ethyl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(3-chlorophenyl)-8-ethyl-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H16ClN3S MolecularWeight: 365.87914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3S/c1-2-13-8-9-16-17(11-13)23-19(14-5-3-6-15(21)12-14)24-20(22-16)18-7-4-10-25-18/h3-12H,2H2,1H3,(H,22,23,24)