4-(1,3-benzothiazol-2-ylmethylsulfanyl)-2,5,6-trimethyl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-2,5,6-trimethyl-thieno[2,3-d]pyrimidine Openeye Name: 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-2,5,6-trimethyl-thieno[2,3-d]pyrimidine CAS Name: 4-(1,3-benzothiazol-2-ylmethylthio)-2,5,6-trimethylthieno[2,3-d]pyrimidine IUPAC Name: 4-(1,3-benzothiazol-2-ylmethylsulfanyl)-2,5,6-trimethylthieno[2,3-d]pyrimidine Traditional Name: 4-(1,3-benzothiazol-2-ylmethylthio)-2,5,6-trimethyl-thieno[2,3-d]pyrimidine Formula: C17H15N3S3 MolecularWeight: 357.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C17H15N3S3/c1-9-10(2)22-17-15(9)16(18-11(3)19-17)21-8-14-20-12-6-4-5-7-13(12)23-14/h4-7H,8H2,1-3H3