7-isothiocyanato-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 7-isothiocyanato-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-isopropyl-7-isothiocyanato-2,3-dihydro-1,4-benzoxazine CAS Name: 7-isothiocyanato-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine IUPAC Name: 7-isothiocyanato-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-isopropyl-7-isothiocyanato-2,3-dihydro-1,4-benzoxazine Formula: C12H14N2OS MolecularWeight: 234.31736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCOC2=C1C=CC(=C2)N=C=S

Isomeric SMILES

CC(C)N1CCOC2=C1C=CC(=C2)N=C=S

InChI

InChI=1S/C12H14N2OS/c1-9(2)14-5-6-15-12-7-10(13-8-16)3-4-11(12)14/h3-4,7,9H,5-6H2,1-2H3