6-tert-butyl-5-methylsulfanyl-3-pyrrol-1-yl-1,2,4-triazine

Systemtic Name: 6-tert-butyl-5-methylsulfanyl-3-pyrrol-1-yl-1,2,4-triazine Openeye Name: 6-tert-butyl-5-methylsulfanyl-3-pyrrol-1-yl-1,2,4-triazine CAS Name: 6-tert-butyl-5-(methylthio)-3-(1-pyrrolyl)-1,2,4-triazine IUPAC Name: 6-tert-butyl-5-methylsulfanyl-3-pyrrol-1-yl-1,2,4-triazine Traditional Name: 6-tert-butyl-5-(methylthio)-3-pyrrol-1-yl-1,2,4-triazine Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N=C(N=N1)N2C=CC=C2)SC

Isomeric SMILES

CC(C)(C)C1=C(N=C(N=N1)N2C=CC=C2)SC

InChI

InChI=1S/C12H16N4S/c1-12(2,3)9-10(17-4)13-11(15-14-9)16-7-5-6-8-16/h5-8H,1-4H3