5-(2-methylpropyl)-6-phenylsulfanyl-pyrazine-2-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC=C(N=C1SC2=CC=CC=C2)C(=S)N

Isomeric SMILES

CC(C)CC1=NC=C(N=C1SC2=CC=CC=C2)C(=S)N

InChI

InChI=1S/C15H17N3S2/c1-10(2)8-12-15(18-13(9-17-12)14(16)19)20-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H2,16,19)