3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-(1,3-benzothiazol-2-ylmethylthio)-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C14H16N4O2S2 MolecularWeight: 336.43244

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H16N4O2S2/c1-20-8-4-7-18-13(19)16-17-14(18)21-9-12-15-10-5-2-3-6-11(10)22-12/h2-3,5-6H,4,7-9H2,1H3,(H,16,19)