1-butan-2-ylsulfanyl-4-isocyanato-benzene

Systemtic Name: 1-butan-2-ylsulfanyl-4-isocyanato-benzene Openeye Name: 1-isocyanato-4-sec-butylsulfanyl-benzene CAS Name: 1-(butan-2-ylthio)-4-isocyanatobenzene IUPAC Name: 1-butan-2-ylsulfanyl-4-isocyanatobenzene Traditional Name: 1-isocyanato-4-(sec-butylthio)benzene Formula: C11H13NOS MolecularWeight: 207.29202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=CC=C(C=C1)N=C=O

Isomeric SMILES

CCC(C)SC1=CC=C(C=C1)N=C=O

InChI

InChI=1S/C11H13NOS/c1-3-9(2)14-11-6-4-10(5-7-11)12-8-13/h4-7,9H,3H2,1-2H3