3-isothiocyanato-4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole

Systemtic Name: 3-isothiocyanato-4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole Openeye Name: 3-isothiocyanato-4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole CAS Name: 3-isothiocyanato-4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole IUPAC Name: 3-isothiocyanato-4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole Traditional Name: 3-isothiocyanato-4-(methoxymethyl)-6-propoxy-9H-$b-carboline Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NC3=CN=C(C(=C23)COC)N=C=S

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NC3=CN=C(C(=C23)COC)N=C=S

InChI

InChI=1S/C17H17N3O2S/c1-3-6-22-11-4-5-14-12(7-11)16-13(9-21-2)17(19-10-23)18-8-15(16)20-14/h4-5,7-8,20H,3,6,9H2,1-2H3