1-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]thiourea CAS Name: 1-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[(E)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]amino]thiourea Formula: C12H16N4O2S MolecularWeight: 280.34604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNNC(=S)NCC=C)C1=O)CO

Isomeric SMILES

CC1=NC=C(/C(=C\NNC(=S)NCC=C)/C1=O)CO

InChI

InChI=1S/C12H16N4O2S/c1-3-4-13-12(19)16-15-6-10-9(7-17)5-14-8(2)11(10)18/h3,5-6,15,17H,1,4,7H2,2H3,(H2,13,16,19)/b10-6+