5-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(2-chlorophenyl)-4-(4-methoxyphenyl)-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C20H21ClN4OS MolecularWeight: 400.92494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)C4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H21ClN4OS/c1-26-16-10-8-15(9-11-16)25-19(17-6-2-3-7-18(17)21)22-24(20(25)27)14-23-12-4-5-13-23/h2-3,6-11H,4-5,12-14H2,1H3