4-(phenylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 4-(phenylmethylsulfanyl)-1H-imidazo[4,5-d]pyridazine Openeye Name: 4-benzylsulfanyl-1H-imidazo[4,5-d]pyridazine CAS Name: 4-(phenylmethylthio)-1H-imidazo[4,5-d]pyridazine IUPAC Name: 4-benzylsulfanyl-1H-imidazo[4,5-d]pyridazine Traditional Name: 4-(benzylthio)-1H-imidazo[4,5-d]pyridazine Formula: C12H10N4S MolecularWeight: 242.2996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C3C(=CN=N2)NC=N3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C3C(=CN=N2)NC=N3

InChI

InChI=1S/C12H10N4S/c1-2-4-9(5-3-1)7-17-12-11-10(6-15-16-12)13-8-14-11/h1-6,8H,7H2,(H,13,14)