methyl N'-[(E)-(4-bromophenyl)methylideneamino]carbamimidothioate

Systemtic Name: methyl N'-[(E)-(4-bromophenyl)methylideneamino]carbamimidothioate Openeye Name: 3-[(E)-(4-bromophenyl)methyleneamino]-2-methyl-isothiourea CAS Name: N'-[(E)-(4-bromophenyl)methylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(E)-(4-bromophenyl)methylideneamino]carbamimidothioate Traditional Name: 3-[(E)-(4-bromobenzylidene)amino]-2-methyl-isothiourea Formula: C9H10BrN3S MolecularWeight: 272.1648

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN=CC1=CC=C(C=C1)Br)N

Isomeric SMILES

CS/C(=N/N=C/C1=CC=C(C=C1)Br)/N

InChI

InChI=1S/C9H10BrN3S/c1-14-9(11)13-12-6-7-2-4-8(10)5-3-7/h2-6H,1H3,(H2,11,13)/b12-6+