1-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-phenyl-thiourea

Systemtic Name: 1-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-1-phenyl-thiourea Openeye Name: 1-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1-phenyl-thiourea CAS Name: 1-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-1-phenylthiourea IUPAC Name: 1-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1-phenylthiourea Traditional Name: 1-[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-1-phenyl-thiourea Formula: C17H17N7OS2 MolecularWeight: 399.49318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NN(C2=CC=CC=C2)C(=S)N)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NN(C2=CC=CC=C2)C(=S)N)C3=CC=NC=C3

InChI

InChI=1S/C17H17N7OS2/c1-23-15(12-7-9-19-10-8-12)20-21-17(23)27-11-14(25)22-24(16(18)26)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,18,26)(H,22,25)