4-phenethyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(4-thieno[2,3-d]pyrimidinylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-thieno[2,3-d]pyrimidin-4-ylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-(thieno[2,3-d]pyrimidin-4-ylthio)-1H-1,2,4-triazol-5-one Formula: C16H13N5OS2 MolecularWeight: 355.43732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C16H13N5OS2/c22-15-19-20-16(21(15)8-6-11-4-2-1-3-5-11)24-14-12-7-9-23-13(12)17-10-18-14/h1-5,7,9-10H,6,8H2,(H,19,22)