(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(pyridin-3-ylmethylcarbamothioyl)azanium

Systemtic Name: (4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(pyridin-3-ylmethylcarbamothioyl)azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(3-pyridylmethylcarbamothioyl)ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[(3-pyridinylmethylamino)-sulfanylidenemethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(pyridin-3-ylmethylcarbamothioyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(3-pyridylmethylthiocarbamoyl)ammonium Formula: C17H20N3O2S+ MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=S)NCC3=CN=CC=C3)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=S)NCC3=CN=CC=C3)CC2OC(=C1)O

InChI

InChI=1S/C17H19N3O2S/c1-11-7-16(21)22-15-8-13(4-5-14(11)15)20-17(23)19-10-12-3-2-6-18-9-12/h2-3,6-7,9,15,21H,4-5,8,10H2,1H3,(H,19,23)/p+1