1-methyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazole-3-carboxamide Openeye Name: 1-methyl-4-(1-naphthylcarbamothioylamino)pyrazole-3-carboxamide CAS Name: 1-methyl-4-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-(naphthalen-1-ylcarbamothioylamino)pyrazole-3-carboxamide Traditional Name: 1-methyl-4-(1-naphthylthiocarbamoylamino)pyrazole-3-carboxamide Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C16H15N5OS/c1-21-9-13(14(20-21)15(17)22)19-16(23)18-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H2,17,22)(H2,18,19,23)