N3-[4-[(4-chlorophenyl)methyl-pyridin-2-yl-amino]butyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine

Systemtic Name: N3-[4-[(4-chlorophenyl)methyl-pyridin-2-yl-amino]butyl]-1-oxidanylidene-1,2,5-thiadiazole-3,4-diamine Openeye Name: N3-[4-[(4-chlorophenyl)methyl-(2-pyridyl)amino]butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine CAS Name: N3-[4-[(4-chlorophenyl)methyl-(2-pyridinyl)amino]butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine IUPAC Name: 3-N-[4-[(4-chlorophenyl)methyl-pyridin-2-ylamino]butyl]-1-oxo-1,2,5-thiadiazole-3,4-diamine Traditional Name: 4-[(4-amino-1-keto-1,2,5-thiadiazol-3-yl)amino]butyl-(4-chlorobenzyl)-(2-pyridyl)amine Formula: C18H21ClN6OS MolecularWeight: 404.91694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCCNC2=NS(=O)N=C2N)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)N(CCCCNC2=NS(=O)N=C2N)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN6OS/c19-15-8-6-14(7-9-15)13-25(16-5-1-2-10-21-16)12-4-3-11-22-18-17(20)23-27(26)24-18/h1-2,5-10H,3-4,11-13H2,(H2,20,23)(H,22,24)