6-butyl-7-methyl-2,5-bis(methylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 6-butyl-7-methyl-2,5-bis(methylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 6-butyl-7-methyl-2,5-bis(methylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 6-butyl-7-methyl-2,5-bis(methylthio)-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 6-butyl-7-methyl-2,5-bis(methylsulfanyl)-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-butyl-7-methyl-2,5-bis(methylthio)-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C19H23N3S2 MolecularWeight: 357.53602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C(=C(C(=N2)SC)C3=CC=CC=C3)N=C1SC)C

Isomeric SMILES

CCCCC1=C(N2C(=C(C(=N2)SC)C3=CC=CC=C3)N=C1SC)C

InChI

InChI=1S/C19H23N3S2/c1-5-6-12-15-13(2)22-17(20-18(15)23-3)16(19(21-22)24-4)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3