3-[(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-methyl-5-(prop-2-ynylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-methyl-5-prop-2-ynylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-methyl-5-(propargylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C14H12N4OS2 MolecularWeight: 316.40128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#C)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CN1C(=NN=C1SCC#C)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C14H12N4OS2/c1-3-8-20-13-16-15-12(17(13)2)9-18-10-6-4-5-7-11(10)21-14(18)19/h1,4-7H,8-9H2,2H3