1-methyl-2,4-diphenyl-6-phenylsulfanyl-3H-1,2,4,5-tetrazine

Systemtic Name: 1-methyl-2,4-diphenyl-6-phenylsulfanyl-3H-1,2,4,5-tetrazine Openeye Name: 1-methyl-2,4-diphenyl-6-phenylsulfanyl-3H-1,2,4,5-tetrazine CAS Name: 1-methyl-2,4-diphenyl-6-(phenylthio)-3H-1,2,4,5-tetrazine IUPAC Name: 1-methyl-2,4-diphenyl-6-phenylsulfanyl-3H-1,2,4,5-tetrazine Traditional Name: 1-methyl-2,4-diphenyl-6-(phenylthio)-3H-1,2,4,5-tetrazine Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(CN1C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(CN1C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C21H20N4S/c1-23-21(26-20-15-9-4-10-16-20)22-24(18-11-5-2-6-12-18)17-25(23)19-13-7-3-8-14-19/h2-16H,17H2,1H3