4-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-prop-2-ynylsulfanyl-pyrimidine

Systemtic Name: 4-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-prop-2-ynylsulfanyl-pyrimidine Openeye Name: 4-(5-chloro-3-methyl-benzothiophen-2-yl)-2-prop-2-ynylsulfanyl-pyrimidine CAS Name: 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-(prop-2-ynylthio)pyrimidine IUPAC Name: 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-prop-2-ynylsulfanylpyrimidine Traditional Name: 4-(5-chloro-3-methyl-benzothiophen-2-yl)-2-(propargylthio)pyrimidine Formula: C16H11ClN2S2 MolecularWeight: 330.85494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NC(=NC=C3)SCC#C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)C3=NC(=NC=C3)SCC#C

InChI

InChI=1S/C16H11ClN2S2/c1-3-8-20-16-18-7-6-13(19-16)15-10(2)12-9-11(17)4-5-14(12)21-15/h1,4-7,9H,8H2,2H3