2-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(1H-1,2,4-triazol-5-ylamino)-1,2-thiazol-3-one

Systemtic Name: 2-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-(1H-1,2,4-triazol-5-ylamino)-1,2-thiazol-3-one Openeye Name: 2-butyl-1,1-dioxo-5-phenyl-4-(1H-1,2,4-triazol-5-ylamino)isothiazol-3-one CAS Name: 2-butyl-1,1-dioxo-5-phenyl-4-(1H-1,2,4-triazol-5-ylamino)-3-isothiazolone IUPAC Name: 2-butyl-1,1-dioxo-5-phenyl-4-(1H-1,2,4-triazol-5-ylamino)-1,2-thiazol-3-one Traditional Name: 2-butyl-1,1-diketo-5-phenyl-4-(1H-1,2,4-triazol-5-ylamino)isothiazol-3-one Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=NC=NN3

Isomeric SMILES

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=NC=NN3

InChI

InChI=1S/C15H17N5O3S/c1-2-3-9-20-14(21)12(18-15-16-10-17-19-15)13(24(20,22)23)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,16,17,18,19)