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

Systemtic Name: 1-ethyl-3-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiourea Openeye Name: 1-[[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-ethyl-thiourea CAS Name: 1-ethyl-3-[[1-oxo-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]amino]thiourea IUPAC Name: 1-[[2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-ethylthiourea Traditional Name: 1-[[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-ethyl-thiourea Formula: C19H21N7OS2 MolecularWeight: 427.54634

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

Isomeric SMILES

CCNC(=S)NNC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=NC=C3

InChI

InChI=1S/C19H21N7OS2/c1-2-21-18(28)24-22-16(27)13-29-19-25-23-17(15-8-10-20-11-9-15)26(19)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,22,27)(H2,21,24,28)