4-methyl-5-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole

Systemtic Name: 4-methyl-5-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole Openeye Name: 4-methyl-5-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-thiazole CAS Name: 4-methyl-5-[4-methyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]-2-phenylthiazole IUPAC Name: 4-methyl-5-(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-1,3-thiazole Traditional Name: 4-methyl-5-[4-methyl-5-(propargylthio)-1,2,4-triazol-3-yl]-2-phenyl-thiazole Formula: C16H14N4S2 MolecularWeight: 326.43916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SCC#C

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C3=NN=C(N3C)SCC#C

InChI

InChI=1S/C16H14N4S2/c1-4-10-21-16-19-18-14(20(16)3)13-11(2)17-15(22-13)12-8-6-5-7-9-12/h1,5-9H,10H2,2-3H3