N-(5-azanyl-2-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide

Systemtic Name: N-(5-azanyl-2-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Openeye Name: N-(5-amino-2-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide CAS Name: N-(5-amino-2-methoxyphenyl)-4-(1H-1,2,4-triazol-5-ylthio)butanamide IUPAC Name: N-(5-amino-2-methoxyphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanyl)butanamide Traditional Name: N-(5-amino-2-methoxy-phenyl)-4-(1H-1,2,4-triazol-5-ylthio)butyramide Formula: C13H17N5O2S MolecularWeight: 307.37138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)CCCSC2=NC=NN2

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)CCCSC2=NC=NN2

InChI

InChI=1S/C13H17N5O2S/c1-20-11-5-4-9(14)7-10(11)17-12(19)3-2-6-21-13-15-8-16-18-13/h4-5,7-8H,2-3,6,14H2,1H3,(H,17,19)(H,15,16,18)