5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(1,3-benzothiazol-2-ylthio)methyl]-2-(morpholinomethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C21H21N5OS3 MolecularWeight: 455.61934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C21H21N5OS3/c28-21-25(15-24-10-12-27-13-11-24)23-19(26(21)16-6-2-1-3-7-16)14-29-20-22-17-8-4-5-9-18(17)30-20/h1-9H,10-15H2