5-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-(phenylmethyl)-1,2,4-triazolidine-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-4-(phenylmethyl)-1,2,4-triazolidine-3-thione Openeye Name: 4-benzyl-5-(4-methoxyphenyl)-2-(morpholinomethyl)-1,2,4-triazolidine-3-thione CAS Name: 5-(4-methoxyphenyl)-2-(4-morpholinylmethyl)-4-(phenylmethyl)-1,2,4-triazolidine-3-thione IUPAC Name: 4-benzyl-5-(4-methoxyphenyl)-2-(morpholin-4-ylmethyl)-1,2,4-triazolidine-3-thione Traditional Name: 4-benzyl-5-(4-methoxyphenyl)-2-(morpholinomethyl)-1,2,4-triazolidine-3-thione Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2NN(C(=S)N2CC3=CC=CC=C3)CN4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2NN(C(=S)N2CC3=CC=CC=C3)CN4CCOCC4

InChI

InChI=1S/C21H26N4O2S/c1-26-19-9-7-18(8-10-19)20-22-25(16-23-11-13-27-14-12-23)21(28)24(20)15-17-5-3-2-4-6-17/h2-10,20,22H,11-16H2,1H3