8-methyl-3-(phenylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole

Systemtic Name: 8-methyl-3-(phenylmethylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole Openeye Name: 3-benzylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole CAS Name: 8-methyl-3-(phenylmethylthio)-5H-[1,2,4]triazino[5,6-b]indole IUPAC Name: 3-benzylsulfanyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole Traditional Name: 3-(benzylthio)-8-methyl-5H-[1,2,4]triazin[5,6-b]indole Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C17H14N4S/c1-11-7-8-14-13(9-11)15-16(18-14)19-17(21-20-15)22-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19,21)