5-(5-ethyl-3,8-dimethyl-azulen-1-yl)sulfanyl-1-phenyl-1,2,3,4-tetrazole

Systemtic Name: 5-(5-ethyl-3,8-dimethyl-azulen-1-yl)sulfanyl-1-phenyl-1,2,3,4-tetrazole Openeye Name: 5-(5-ethyl-3,8-dimethyl-azulen-1-yl)sulfanyl-1-phenyl-tetrazole CAS Name: 5-[(5-ethyl-3,8-dimethyl-1-azulenyl)thio]-1-phenyltetrazole IUPAC Name: 5-(5-ethyl-3,8-dimethylazulen-1-yl)sulfanyl-1-phenyltetrazole Traditional Name: 5-[(5-ethyl-3,8-dimethyl-azulen-1-yl)thio]-1-phenyl-tetrazole Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C(C2=C(C=C1)C)SC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C(C2=C(C=C1)C)SC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H20N4S/c1-4-16-11-10-14(2)20-18(13-16)15(3)12-19(20)26-21-22-23-24-25(21)17-8-6-5-7-9-17/h5-13H,4H2,1-3H3