N2,N3-bis(oxidanidyl)butane-2,3-diimine; 4-tert-butylbenzenethiolate; cobalt; 1-methylimidazole

Systemtic Name: N2,N3-bis(oxidanidyl)butane-2,3-diimine; 4-tert-butylbenzenethiolate; cobalt; 1-methylimidazole Openeye Name: 4-tert-butylbenzenethiolate; cobalt; N2,N3-dioxidobutane-2,3-diimine; 1-methylimidazole CAS Name: 4-tert-butylbenzenethiolate; cobalt; N2,N3-dioxidobutane-2,3-diimine; 1-methylimidazole IUPAC Name: 4-tert-butylbenzenethiolate; cobalt; 2-N,3-N-dioxidobutane-2,3-diimine; 1-methylimidazole Traditional Name: 4-tert-butylbenzenethiolate; cobalt; 1-methylimidazole; (1-methyl-2-oxidoimino-propylidene)-oxido-amine Formula: C22H31CoN6O4S-5 MolecularWeight: 534.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.CC(C)(C)C1=CC=C(C=C1)[S-].CN1C=CN=C1.[Co]

Isomeric SMILES

CC(=N[O-])C(=N[O-])C.CC(=N[O-])C(=N[O-])C.CC(C)(C)C1=CC=C(C=C1)[S-].CN1C=CN=C1.[Co]

InChI

InChI=1S/C10H14S.2C4H8N2O2.C4H6N2.Co/c1-10(2,3)8-4-6-9(11)7-5-8;2*1-3(5-7)4(2)6-8;1-6-3-2-5-4-6;/h4-7,11H,1-3H3;2*7-8H,1-2H3;2-4H,1H3;/p-5