1-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-3-phenyl-thiourea

Systemtic Name: 1-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-3-phenyl-thiourea CAS Name: 1-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3,5-bis(hydroxymethyl)-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-(3,5-dimethylol-1,2,4-triazol-4-yl)-3-phenyl-thiourea Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NN2C(=NN=C2CO)CO

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NN2C(=NN=C2CO)CO

InChI

InChI=1S/C11H13N5O2S/c17-6-9-13-14-10(7-18)16(9)15-11(19)12-8-4-2-1-3-5-8/h1-5,17-18H,6-7H2,(H2,12,15,19)