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

Systemtic Name: 4-(3-methoxypropyl)-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-(phenacylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-phenacylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(3-methoxypropyl)-3-(phenacylthio)-1H-1,2,4-triazol-5-one Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3S/c1-20-9-5-8-17-13(19)15-16-14(17)21-10-12(18)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,19)