3-phenethylsulfanyl-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 3-phenethylsulfanyl-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-allyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 3-(phenethylthio)-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-phenethylsulfanyl-5-prop-2-enyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-allyl-3-(phenethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCCC4=CC=CC=C4

InChI

InChI=1S/C20H18N4S/c1-2-13-24-17-11-7-6-10-16(17)18-19(24)21-20(23-22-18)25-14-12-15-8-4-3-5-9-15/h2-11H,1,12-14H2