1-[methyl-(1-methyl-6-oxidanylidene-pyridazin-4-yl)amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[methyl-(1-methyl-6-oxidanylidene-pyridazin-4-yl)amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[methyl-(1-methyl-6-oxo-pyridazin-4-yl)amino]thiourea CAS Name: 1-[methyl-(1-methyl-6-oxo-4-pyridazinyl)amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[methyl-(1-methyl-6-oxopyridazin-4-yl)amino]thiourea Traditional Name: 1-benzyl-3-[(6-keto-1-methyl-pyridazin-4-yl)-methyl-amino]thiourea Formula: C14H17N5OS MolecularWeight: 303.38268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N(C)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CN1C(=O)C=C(C=N1)N(C)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C14H17N5OS/c1-18(12-8-13(20)19(2)16-10-12)17-14(21)15-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H2,15,17,21)