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

Systemtic Name: 5-phenethyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Openeye Name: 5-phenethyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole CAS Name: 5-phenethyl-3-(phenethylthio)-[1,2,4]triazino[5,6-b]indole IUPAC Name: 5-phenethyl-3-phenethylsulfanyl-[1,2,4]triazino[5,6-b]indole Traditional Name: 5-phenethyl-3-(phenethylthio)-[1,2,4]triazin[5,6-b]indole Formula: C25H22N4S MolecularWeight: 410.53398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)SCCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3C4=C2N=C(N=N4)SCCC5=CC=CC=C5

InChI

InChI=1S/C25H22N4S/c1-3-9-19(10-4-1)15-17-29-22-14-8-7-13-21(22)23-24(29)26-25(28-27-23)30-18-16-20-11-5-2-6-12-20/h1-14H,15-18H2