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

Systemtic Name: 1-[(3-chloranyl-1-methyl-6-oxidanylidene-pyridazin-4-yl)-methyl-amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(3-chloro-1-methyl-6-oxo-pyridazin-4-yl)-methyl-amino]thiourea CAS Name: 1-[(3-chloro-1-methyl-6-oxo-4-pyridazinyl)-methylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(3-chloro-1-methyl-6-oxopyridazin-4-yl)-methylamino]thiourea Traditional Name: 1-benzyl-3-[(3-chloro-6-keto-1-methyl-pyridazin-4-yl)-methyl-amino]thiourea Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN5OS/c1-19(11-8-12(21)20(2)17-13(11)15)18-14(22)16-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H2,16,18,22)