1-(2-cyanoethanoylamino)-3-(3-methylsulfanylphenyl)thiourea

Systemtic Name: 1-(2-cyanoethanoylamino)-3-(3-methylsulfanylphenyl)thiourea Openeye Name: 1-[(2-cyanoacetyl)amino]-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[(2-cyano-1-oxoethyl)amino]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[(2-cyanoacetyl)amino]-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[(2-cyanoacetyl)amino]-3-[3-(methylthio)phenyl]thiourea Formula: C11H12N4OS2 MolecularWeight: 280.36918

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)NNC(=O)CC#N

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)NNC(=O)CC#N

InChI

InChI=1S/C11H12N4OS2/c1-18-9-4-2-3-8(7-9)13-11(17)15-14-10(16)5-6-12/h2-4,7H,5H2,1H3,(H,14,16)(H2,13,15,17)