5-butyl-6-phenylsulfanyl-pyrazine-2-carbothioamide

Systemtic Name: 5-butyl-6-phenylsulfanyl-pyrazine-2-carbothioamide Openeye Name: 5-butyl-6-phenylsulfanyl-pyrazine-2-carbothioamide CAS Name: 5-butyl-6-(phenylthio)-2-pyrazinecarbothioamide IUPAC Name: 5-butyl-6-phenylsulfanylpyrazine-2-carbothioamide Traditional Name: 5-butyl-6-(phenylthio)thiopyrazinamide Formula: C15H17N3S2 MolecularWeight: 303.44558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N=C1SC2=CC=CC=C2)C(=S)N

Isomeric SMILES

CCCCC1=NC=C(N=C1SC2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C15H17N3S2/c1-2-3-9-12-15(18-13(10-17-12)14(16)19)20-11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,16,19)