2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)methyl]-10-propyl-phenothiazine; N-methylmethanamine

Systemtic Name: 2-[(1-ethyl-1,2,3,4-tetrazol-5-yl)methyl]-10-propyl-phenothiazine; N-methylmethanamine Openeye Name: 2-[(1-ethyltetrazol-5-yl)methyl]-10-propyl-phenothiazine; N-methylmethanamine CAS Name: 2-[(1-ethyl-5-tetrazolyl)methyl]-10-propylphenothiazine; N-methylmethanamine IUPAC Name: 2-[(1-ethyltetrazol-5-yl)methyl]-10-propylphenothiazine; N-methylmethanamine Traditional Name: dimethylamine; 2-[(1-ethyltetrazol-5-yl)methyl]-10-propyl-phenothiazine Formula: C21H28N6S MolecularWeight: 396.55222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)CC4=NN=NN4CC.CNC

Isomeric SMILES

CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)CC4=NN=NN4CC.CNC

InChI

InChI=1S/C19H21N5S.C2H7N/c1-3-11-23-15-7-5-6-8-17(15)25-18-10-9-14(12-16(18)23)13-19-20-21-22-24(19)4-2;1-3-2/h5-10,12H,3-4,11,13H2,1-2H3;3H,1-2H3